ChemSpider 2D Image | (2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-2,3-dihydro-4H-chromen-4-one | C25H30O7

(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC25H30O7
  • Average mass442.501 Da
  • Monoisotopic mass442.199158 Da
  • ChemSpider ID23332605

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(1-methylethenyl)hexyl]-4H-1-benzopyran-4-one
(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphényl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-2-isopropényl-5-méthylhexyl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(1-methylethenyl)hexyl]-, (2S)- [ACD/Index Name]
52483-01-9 [RN]
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-2,3-dihydro-4H-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454647/
norkurarinol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 235.0±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 977.67
ACD/KOC (pH 5.5): 4791.34
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 486.02
ACD/KOC (pH 7.4): 2381.85
Polar Surface Area: 127 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 339.4±3.0 cm3

Click to predict properties on the Chemicalize site


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